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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Suppressor of tumorigenicity 14 protein' and Ligand = 'BDBM50518602'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))		BDBM50518602
PNG
(CHEMBL4462941)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H32N6O6S/c33-31(34)35-15-7-13-24(28(41)30-37-23-12-5-6-14-26(23)45-30)36-29(42)25(16-27(39)40)38-32(43)44-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-6,8-12,14,22,24-25H,7,13,15-17H2,(H,36,42)(H,38,43)(H,39,40)(H4,33,34,35)/t24-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
 294n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...

J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair